HRID1211502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7504

Benzylamine

C7H9N

结构：COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)C3(C)C)cc1

HCID86601808

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])N(C(=O)NCc2ccccc2)C(=O)C3(C)C)cc1

HCID67426830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd4270e45afa4aae983e616c1977e5ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[NH2:46].[Cl:47][CH2:48][Cl:49].[N+:1]([c:2]1[cH:3][cH:4][c:5]([O:10][C:11](=[O:6])[N:13]2[C:14](=[O:38])[C:15]([CH3:36])([CH3:37])[c:16]3[cH:17][c:18]([NH:25][C:26]([c:27]4[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]4)=[O:35])[c:19]([N+:22](=[O:23])[O-:24])[cH:20][c:21]32)[cH:7][cH:8]1)([O-:9])=[O:12]>>[O:10]=[C:11]([N:13]1[C:14](=[O:38])[C:15]([CH3:36])([CH3:37])[c:16]2[cH:17][c:18]([NH:25][C:26]([c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)=[O:35])[c:19]([N+:22](=[O:23])[O-:24])[cH:20][c:21]21)[NH:46][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1